KINISOT.py v 2.0.1: 2023-09-28 11:10 
  Found vibrational scaling factor 0.985 for RB3LYP/def2TZVPP level of theory 
  REF: I. M. Alecu, unpublished (2011). 

                                                     Temp = 226.15K / Vib. scale factor = 0.985 
                                                     V-ratio        ZPE        EXC       TRPF        KIE    1D-tunn   corr-KIE 
o endo_react                                        -------------------------------------------------------------------------- 
o endo_TS1                                             559.8 
o endo_react: iso @ 13                                        1.105e+02  1.076e+00  2.595e+00 
o endo_TS1: iso @ 13                                   517.1  3.110e+01  1.030e+00  2.805e+00 
                                                    -------------------------------------------------------------------------- 
  KIE @ 226.15 K                                    1.082547   3.552647   1.044154   0.925315   3.715805   1.103802   4.101512 
                                                    --------------------------------------------------------------------------
  KIE = 4.101512 / 1.349618 = 3.039016966282311